Publications in V-Sustain

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2018
03 APR

Fundamental limitation of electrocatalytic methane conversion to methanol

The electrochemical oxidation of methane to methanol at remote oil fields where methane is flared is the ultimate solution to harness this valuable energy resource. In...

01 APR

Enabling real-time detection of electrochemical desorption phenomena with sub...

Electrochemical reactions play an increasingly important role in sustainable energy conversion and chemical synthesis. Better understanding of catalytic mechanisms at electrode...

09 MAR

Electroreduction of CO on Polycrystalline Copper at Low Overpotentials

Cu is the only monometallic electrocatalyst to produce highly reduced products from CO2 selectively because of its intermediate binding of CO. We investigate the performance...

07 MAR

Benchmarking high surface area electrocatalysts in a gas diffusion electrode...

In this work, we introduce the application of gas diffusion electrodes (GDE) for benchmarking the electrocatalytic performance of high surface area fuel cell catalysts...

05 MAR

Elucidation of the Oxygen Reduction Volcano in Alkaline Media using a Copper–Platinum...

The relationship between the binding of the reaction intermediates and oxygen reduction activity in alkaline media was experimentally explored. By introducing Cu into the...

02 MAR

Scalable Synthesis of Carbon-Supported Platinum–Lanthanide and −Rare-Earth Alloys...

Platinum–rare-earth alloys have proven to be both active and stable under accelerated stability tests in their bulk polycrystalline form. However, a scalable method for...

01 MAR

Benchmark Database of Transition Metal Surface and Adsorption Energies from Many...

We present an extensive set of surface and chemisorption energies calculated using state of the art many-body perturbation theory. In the first part of the paper we consider...

09 FEB

Computational Screening of Doped α‐MnO2 Catalysts for the Oxygen Evolution Reaction

Minimizing energy and materials costs for driving the oxygen evolution reaction (OER) is paramount for the commercialization of water electrolysis cells and rechargeable...

08 FEB

Exploration versus Exploitation in Global Atomistic Structure Optimization

The ability to navigate vast energy landscapes of molecules, clusters, and solids is a necessity for discovering novel compounds in computational chemistry and materials...

08 FEB

Unbiased, complete solar charging of a neutral flow battery by a single Si photocathode

Solar redox flow batteries have attracted attention as a possible integrated technology for simultaneous conversion and storage of solar energy. In this work, we review...

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